First-principle investigation on perovskite La_(1-x)Eu_xGaO_3

The pseudopotential method has been used to investigate the structural, electronic and magnetic properties of La_(1-x)Eu_xGaO_3(x = 0, 0.25, 0.5, 0.75, and 1) within the scheme of generalized gradient approximation. The spin-polarized calculations demonstrate that the ground state is an antiferromagnetic insulator for x ≤ 0.5, while it is ferromagnetic halfmetal at x 0.5. The substitutions of magnetic Eu ions for non-magnetic La ions produce and strength spin polarization,which forcefully urges the system from the insulator to the half metal. Meanwhile, Eu doping strengthens a stoner mechanism for ferromagnetism of La_(1-x)Eu_xGaO_3(x = 0.75 and 1), which may lead to a rapid increasing in the total magnetic moment and therefore, antiferromagnetic–ferromagnetic transition happens.     

Origin of the Downturn in Inverse Susceptibility Observed above the Curie Temperature in Perovskite Manganites

The measurement of low-field susceptibility X as a function of temperature T for La2/3Ca1/3MnO3 shows a significant downturn in 1/X(T) above the Curie temperature Tc, a behaviour generally observed in perovskite manganites. Such a downturn is argued to be due to the segregation of ferromagnetic clusters with larger spins in the paramagnetic matrix. Based on this consideration, a phenomenological expression for X(T) is proposed,in which the total susceptibility is assumed to be a sum of two susceptibilities arising from magnetic entities in the PM background and the FM clusters with T-dependent effective spins, respectively. The result is in good agreement with the experimental data obtained in La2/3Ca1/3MnO3.     

Magnetic Properties and Spin State Transition of Gallium Doped Perovskite Cobaltite Oxide

A series of Ga doping perovskite cobaltite La2/3Sr1/3 （Co1-y Gay）03 （y = 0, 0.1, 0.2, 0.3 and 0.4） are prepared by the standard solid-state reaction method. Their magnetic properties and Co ions spin state transitions are studied. Upon doping, no appreciable structure changes can be found. However, the corresponding Curie temperature sharply decreases and the magnetization is greatly reduced, indicating that Ga doping destroys the ferromagnetic interaction in the system. In addition, the high temperature magnetization data follow the Curie-Weiss law. At least one kind of Co ions （Co^3＋ or Co^4＋） favours the mixed spin state, and most Co ions are at the lower spin state （low and intermediate state）. With increasing Ga content, more Co ions transit to the higher spin state.     

Studies on Electronic Structure and Magnetic Properties of an Organic Magnet with Metallic Mn^2＋ and Cu^2＋ Ions

The electronic structure and the magnetic properties of the non-pure organic ferromagnetic compound MnCu(pbaOH)(H2O)3 with pbaOH=2-hydroxy-1, 3-propylenebis (oxamato) are studied by using the density-functional theory with local-spin-density approximation. The density of states, total energy, and the spin magnetic moment are calculated. The calculations reveal that the compound MnCu(pbaOH)(H2O)3 has a stable metal-ferromagnetic ground state, and the spin magnetic moment per molecule is 2.208 μa, and the spin magnetic moment is mainly from Mn ionand Cu ion. An antiferromagnetic order is expected and the antiferromagnetic exchange interaction of d-electrons of Cu and Mn passes through the antiferromagnetic interaction between the adjacent O, 0, and N atoms along the path linking the atoms Cu and Mn.     

THE STRUCTURE AND MAGNETIC PROPERTIES OF La2-2xSr1Ca2xMn2O7 (x=0.25－1.00)

In this paper, the effect of divalent cation substitution on the structure and magnetic properties in La_2-2xSr₁Ca_2xMn₂O₇ have been investigated systematically using bulk samples with a wide doping concentration range 0.25≤x≤1.00. Replacing trivalent La ions by divalent Ca ions results in the weakening and then disappearance of the long-range ferromagnetic (FM) ordering, the formation of spin canting, antiferromagnetic (AFM) ordering and low-temperature spin-glass. These results show that increasing the hole-doping concentration significantly suppresses the FM state. We suggest that this variation of magnetic properties is related to the competition of the FM and AFM interactions resulting from the change of Mn³⁺/Mn⁴⁺ ratio and Jahn-Teller-type lattice distortion of MnO₆ octahedra due to the introduction of Ca²⁺ ions.     

Effect of cobalt on the magnetoresistance characteristics of rare-earth doped manganites

The effect of cobalt-doping on the magnetic, transport and magnetoresistance characteristics of La_1-xSr_xMnO₃ was investigated. The results show that the magnetoelectric property of rare-earth doped manganites is greatly affected by substitution of Co for Mn sites. The Curie temperature as well as the magnetic moment decreases with the increase of doping concentration, and the samples exhibit obvious characteristics of the spin glass state. Moreover, the magnetoresistance is evidently modulated by doping concentration, and the relevant temperature dependence is also suppressed. In addition, low-temperature magnetoresistance is significantly promoted as doping concentration increases, which renders a value of approximately 50% in the temperature range of 5--200~K and varies within 12.5%. It can be attributed to the effect of spin scattering, induced by cobalt doping, on the itinerant electrons of Mn ions, thus introducing a spin-disorder region into the ferromagnetic region of double-exchange interaction between neighbouring Mn³⁺ and Mn ³⁺ ions.     

Electronic and Magnetic Properties of Double Perovskite Ca2CrSbO6

First-principles calculations have been performed for the study of the electronic band structure and ferromagnetic properties of double perovskite Ca2CrSbO6. The density of states, total energy, spin magnetic moment, and charge density were calculated and analyzed in details. It is found that Ca2CrSbO6 has a stable ferromagnetic ground state and the spin magnetic moment per molecule is about 2.99#B. The chromium contributes the most in the total magnetic moments. The results indicate that Ca2CrSbO6 is half-metallic.     

Effect of Cu doping on the magnetic and electrical properties of n=2 Ruddlesden-Popper manganates

A series of polycrystalline Cu-doped n=2 Ruddlesden-Popper manganates La1.2Sr1.8CuzMn（2-x）O7 （x=0, 0.04, 0.13） were synthesized by the solid state reaction method. The effect of Cu doping on the magnetic and transport properties has been studied. It is found that Cu substitution for Mn greatly affects the magnetic and electrical properties of the parent phase La1.2Sr1.8Mn2O7. With the increase of Cu content, the system undergoes a transition from longrange ferromagnetic order to the spin glass state and further to an antiferromagnetic order. A little of Cu dopant can lead to the samples showing semiconductor or insulator behaviour in the whole observed temperature range while the parent phase has a metal-insulator transition. These samples show colossal magnetoresistance at low temperatures and the value of it decreases with increasing Cu content.     

Studies on Electronic Structure and Magnetic Properties of an Organic Magnet with Metallic Mn2+ and Cu2+ Ions

The electronic structure and the magnetic properties of the non-pure organic ferromagnetic compound MnCu(pbaOH)(H2O)3 with pbaOH = 2-hydroxy-1, 3-propylenebis (oxamato) are studied by using the density-functional theory with local-spin-density approximation. The density of states, total energy, and the spin magnetic moment are calculated. The calculations reveal that the compound MnCu(pbaOH)(H20)3 has a stable metal-ferromagnetic ground state, and the spin magnetic moment per molecule is 2.208 μB, and the spin magnetic moment is mainly from Mn ion and Cu ion. An antiferromagnetic order is expected and the antiferromagnetic exchange interaction of d-electrons of Cu and Mn passes through the antiferromagnetic interaction between the adjacent C, O, and N atoms along the path linking the atoms Cu and Mn.     

Unusual Transport Properties near the Insulator-Metal Transition in Colossal Magnetoresistive Manganites

It is argued that a combination of the Griffiths theory and the double-exchange mechanism predicts the random distribution of ferromagnetic metallic clusters above the Curie temperature TC in colossal magnetoresistive manganites. Along this line, we propose a model for the temperature dependence of resistivity that yields a quantitative agreement with experimental data obtained in a typical manganite La2/3Ca1/3MnO3. Our result indicates that the formation and growth of ferromagnetic metallic clusters are responsible for the observation of unusual transport properties near the insulator-metal transition.     

Phase separation and abnormal transport behaviours in La0.7-xGdxSr0.3MnO3 system

The magnetic and transport behaviours of the La_{0.7-x}Gd_xSr_{0.3}MnO_3 (0≤x≤0.70) system are investigated. The experimental results indicate that with increasing Gd doping content, the magnetism of the system changes from the long-range ferromagnetic order state to the cluster-spin glass state, then to the antiferromagnetic (AFM) state. It is interesting that the phase separation appears at x=0.30 and 0.40 and disappears for x≥0.50 where the AFM state occurs. At high doping content, the transport behaviours exhibit abnormality, e.g. there are two temperature ranges in which the ρ－T curves can be well fitted by a variable-range hopping (VRH) model. We suggest that the VRH does not come from the hopping of carriers between clusters, but from the different magnetic backgrounds in the clusters.     

The electric and magnetic properties of epitaxially grown A0.5-xLaxSr0.5MnO3 （A=Pr, Nd） thin film

The epitaxial （single crystal-like） Pr0.4La0.1Sr0.5MnO3 （PLSMO） and Nd0.35La0.15Sr0.5MnO3 （NLSMO） thin films are prepared and characterized, and the electric and magnetic properties are examined. We find that both PLSMO and NLSMO have their own optimum deposition temperature （To） in their growing into epitaxial thin films. When the deposition temperature is higher than To, a c-axis oriented but polycrystalline thin film grows; when the deposition temperature is lower than To, the thin film tends to be a-axis oriented and also polycrystalline. The most important point is that for the epitaxial PLSMO and NLSMO thin films the electronic phase transitions are closely consistent with the magnetic phase transitions, i.e. an antiferromagnetic phase corresponds to an insulating state, a ferromagnetic phase corresponds to a metallic state and a paramagnetic phase corresponds to a semiconducting state, while for the polycrystalline thin films the electronic phase transitions are always not consistent with the magnetic transitions.     

Simulation of Temperature-Dependent Resistivity for Manganite La1/3Ca2/3MnO3

The resistivity of the heavy-doped La1/3Ca2/3MnO3 （LCMO） is simulated using a random resistor network model, based on a phase separation scenario. The simulated results agree well with the reported experimental data, showing a transition from a charge-disordered （CDO） state embedded with a few ferromagnetic （FM） metallic clusters to a charge-ordered （CO） state, corresponding to the transition from a high-temperature paramagnetic （PM） insulating state to a low-temperature antiferromagnetic （AF） insulating state. Furthermore, we find that the number of AF/CO clusters increases with decreasing temperature, and the clusters start to connect to each other around 250K, which causes percolating in the system. The results further verify that phase separation plays a crucial role in the electrical conductivity of LCMO.     

Translational Invariance in Phase Diagram of S = 1／2, 3／2 Spin Glass Systems

By using the replica method and the functional integral technique, the quantum XY spin glass model with ferromagnetic coupling is investigated numerically. From the numerical results of the thermodynamic and magnetic quantities we found that these quantities do not vary with the mean exchange interaction when the mean exchange interaction is lower than 1. This feature demonstrates that there are the mean interaction translational symmetries in the spin-glass and paramagnetic phases.     

Electron spin resonance study of the Ba-doping manganite Nd0.5Sr0.5MnO3

We have performed magnetization measurements and electron spin resonance （ESR） on polycrystalline manganites of Nd0.5Sr0.5-xBaxMnO3 （x = 0.1）. Phase separation and phase transitions are observed from the susceptibility and the ESR spectra data. Between 260 K （～ Tc） and 185 K （～ TN）, the system coexists of the paramagnetic phase and the ferromagnetic （FM） phase. Between 185 K and 140 K, the system coexists of the FM phase and the antiferromagnetic （AFM） phase. These results indicate that the system has a very complex magnetic state due to the origin of the instability stemming from manganite Nd0.5Sr0.4Ba0.1MnO3 by partially substituting the larger Ba^2＋ ions for the smaller Sr^2＋ ions.     

Entanglement in One-Dimensional Random XY Spin Chain with Dzyaloshinskii--Moriya Interaction

The impurities of exchange couplings, external magnetic fields and Dzyaloshinskii-Moriya （DM） interaction considered as Gaussian distribution, and the entanglement in one-dimensional random XY spin systems is investigated by the method of solving the different spin-spin correlation functions and the average magnetization per spin. The entanglement dynamics at central locations of ferromagnetic and antiferromagnetic chains have been studied by varying the three impurities and the strength of DM interaction. （i） For the ferromagnetic spin chain, the weak DM interaction can improve the amount of entanglement to a large value, and the impurities have the opposite effect on the entanglement below and above critical DM interaction. （ii） For the antiferromagnetic spin chain, DM interaction can enhance the entanglement to a steady value. Our results imply that DM interaction strength, the impurity and exchange couplings （or magnetic field） play competing roles in enhancing quantum entanglement.     

Entanglement and quantum phase transition in alternating XY spin chain with next-nearest neighbouring interactions

By using the method of density-matrix renormalization-group to solve the different spin spin correlation functions, the nearest-neighbouring entanglement （NNE） and the next-nearest-neighbouring entanglement （NNNE） of one-dimensional alternating Heisenberg XY spin chain are investigated in the presence of alternating the-nearestneighbouring interaction of exchange couplings, external magnetic fields and the next-nearest neighbouring interaction. For a dimerised ferromagnetic spin chain, the NNNE appears only above a critical dimerized interaction, meanwhile, the dimerized interaction a effects a quantum phase transition point and improves the NNNE to a large extent. We also study the effect of ferromagnetic or antiferromagnetic next-nearest neighbouring （NNN） interaction on the dynamics of NNE and NNNE. The ferromagnetic NNN interaction increases and shrinks the NNE below and above a critical frustrated interaction respectively, while the antiferromagnetic NNN interaction always reduces the NNE. The antiferromagnetic NNN interaction results in a large value of NNNE compared with the case where the NNN interaction is ferromagnetic.     

Spin Glass Behaviour and Spin-Dependent Scattering in La0.7Ca0.3Mn0.9Cr0.1O3 Perovskites

The magnetic, electrical and thermal transport properties of the perovskite La0.7Ca0.3Mn0.9 Cr0.1O3 have been investigated by measuring dc magnetization, ac susceptibility, the magnetoresistance and thermal conductivity in the temperature range of 5-300 K. The spin glass behaviour with a spin freezing temperature of 70 K has been well confirmed for this compound, which demonstrates the coexistence and competition between ferromagnetic and antiferromagnetic clusters by the introduction of Cr. Colossal magnetoresistance has been observed over the temperature range investigated. The introduction of Cr causes the ““double-bump““ feature in electrical resistivity ρ(T). Anomalies on the susceptibility and the thermal conductivity associated with the double-bumps in ρ(T)are observed simultaneously. The imaginary part of ac susceptibility shows a sharp peak at the temperature of insulating-metallic transition where the first resistivity bump was observed, but it is a deep-set valley near the temperature where the second bump in ρ(T) emerges. The thermal conductivity shows an increase below the temperature of the insulating-metallic transition, but the phonon scattering is enhanced accompanying the appearance of the second peak of double-bumps in ρ(T). We relate those observed in magnetic and transport properties of La0.7Ca0.3Mn0.9Cr0.1O3 to the spin-dependent scattering. The results reveal that the spin-phonon interaction may be of more significance than the electron (charge)-phonon interaction in the mixed perovskite system.     

Effects of charge on the structures and spin moments of Nil3 cluster

The structural stability and magnetic properties of the icosahedral Ni13, Ni13^＋1 and Ni13^-1 clusters have been obtained by utilizing all-electron density functional theory with the generalized gradient approximations for the exchange-correlation energy. The calculated results show that the ground states of neutral and charged clusters all favour a D3d structure, a distorted icosahedron, due to the Jahn-Teller effect. The radial distortions caused by doping one electron and by doping one hole are opposite to each other. Doping one electron will result in a 1/2 decrease and doping one hole will result in a 1/2 increase of the total spin. Both increasing interatomic spacing and decreasing coordination will lead to an enhancement of the spin magnetic moments for Nil3 clusters.     

Percolation Model of the Temperature Dependence of Exotic Magnetic Field in Doped Manganese Perovskites

We investigate the magnetic transitions in a （La1-x）2/3Ca1/3MnO3 system, which consists of paramagnetic and ferromagnetic domains, based on a magnetic theoretical percolation model In the mean-field approximation, the resistance as a function of temperature and magnetic field has been derived analytically and simulated numerically. It is found that the dependence of the critical temperature on magnetic field is linear when applied magnetic field is not too strong. Our theoretical predications are in good agreement with recent experimental observations.